RDKit 3D 47 50 0 0 0 0 0 0 0 0999 V2000 -5.1843 -0.3697 -1.2064 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2133 -0.8590 -2.2727 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9850 0.0392 -2.4257 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0821 -0.0167 -1.2489 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8249 0.8302 -0.1971 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8329 0.1596 0.5486 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5059 -1.0153 -0.0104 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.2968 -1.1220 -1.1396 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0985 0.5953 1.7794 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.7242 0.0657 3.0731 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0634 -1.1899 3.4022 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4808 -0.8020 3.0434 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3210 0.0019 1.7873 N 0 0 0 0 0 4 0 0 0 0 0 0 2.4371 0.9534 1.4947 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2833 1.6983 0.2235 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9974 3.0494 0.1095 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8994 3.3163 -1.2229 N 0 0 0 0 0 0 0 0 0 0 0 0 2.0495 2.2295 -1.9789 N 0 0 0 0 0 0 0 0 0 0 0 0 2.3509 1.2426 -1.1271 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6850 -0.2014 -1.6894 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1401 -1.2897 -0.9735 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3195 -2.4456 -1.7951 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0089 -2.1972 -3.1117 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5201 -0.5804 -3.3560 S 0 0 0 0 0 0 0 0 0 0 0 0 -4.7369 -0.4070 -0.2087 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5003 0.6592 -1.4061 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0783 -1.0015 -1.1943 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9104 -1.8874 -2.0426 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7432 -0.8906 -3.2325 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2982 1.0746 -2.6056 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4238 -0.2757 -3.3141 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2828 1.7924 -0.0180 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0206 1.6871 1.8226 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7981 -0.1315 2.9930 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5820 0.8019 3.8747 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0330 -1.4784 4.4527 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2747 -2.0310 2.7861 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1316 -1.6550 2.8343 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9260 -0.1547 3.8067 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2814 -0.6743 1.0039 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4799 1.6498 2.3415 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3685 0.3792 1.5029 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8662 3.8362 0.8405 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7185 4.2040 -1.6859 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3731 -1.2986 0.0781 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6712 -3.4088 -1.4439 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0570 -2.8826 -3.9477 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 1 0 4 5 2 0 5 6 1 0 6 7 2 0 7 8 1 0 6 9 1 0 9 10 1 0 10 11 1 0 11 12 1 0 12 13 1 0 13 14 1 0 14 15 1 0 15 16 2 0 16 17 1 0 17 18 1 0 18 19 2 0 19 20 1 0 20 21 2 0 21 22 1 0 22 23 2 0 23 24 1 0 8 4 1 0 13 9 1 0 19 15 1 0 24 20 1 0 1 25 1 0 1 26 1 0 1 27 1 0 2 28 1 0 2 29 1 0 3 30 1 0 3 31 1 0 5 32 1 0 9 33 1 1 10 34 1 0 10 35 1 0 11 36 1 0 11 37 1 0 12 38 1 0 12 39 1 0 13 40 1 0 14 41 1 0 14 42 1 0 16 43 1 0 17 44 1 0 21 45 1 0 22 46 1 0 23 47 1 0 M CHG 1 13 1 M END